Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4679692 | 0.81 | SHBG (0.32) | SHBGKIF11ESR1ESR2TAAR1 | |
| SCHEMBL3045851 | 0.81 | CYP2A6 (0.33) | ALDH1A1CYP2A6SHBGKIF11ESR1 | |
| SCHEMBL2815949 | 0.81 | MAPT (0.47) | ALDH1A1NPC1MAPTRAB9AACHE | |
| SCHEMBL4673742 | 0.80 | TAAR1 (0.52) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL3486273 | 0.79 | TSHR (0.43) | TSHRALDH1A1CYP2A6NPC1MAPT | |
| SCHEMBL7583086 | 0.78 | ALDH1A1 (0.43) | TSHRALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL27851034 | 0.76 | ACHE (0.39) | ALDH1A1MAPTACHELMNASMN1; SMN2 | |
| SCHEMBL11724568 | 0.74 | ESR1 (0.36) | NPC1RAB9AACHETDP1MEN1 | |
| SCHEMBL24817397 | 0.74 | CYP2A6 (0.61) | TSHRALDH1A1CYP2A6ACHEKIF11 | |
| SCHEMBL2815187 | 0.74 | HSD17B10 (0.42) | ALDH1A1NPC1MAPTRAB9AACHE |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61172853-A | — | — | None | — | — | JP | disclosed |
| US-5274104-A | N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders | ELF SANOFI, A FRENCH CORP. (FR) | 1993-12-28 | — | — | US | disclosed |
| JP-S61172853-A | OPTICAL RESOLUTION OF (+-)-TRANS-CHRYSANTHEMUM-CARBOXILIC ACID | NOHIRA HIROYUKI | 1986-08-04 | — | — | JP | disclosed |